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Phthalic acid, decyl 2-ethylcyclohexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 2-ethylcyclohexyl ester
SpectraBase Compound ID EZ34tUNxi9A
InChI InChI=1S/C26H40O4/c1-3-5-6-7-8-9-10-15-20-29-25(27)22-17-12-13-18-23(22)26(28)30-24-19-14-11-16-21(24)4-2/h12-13,17-18,21,24H,3-11,14-16,19-20H2,1-2H3
InChIKey ZHZOJIIVZVXTMG-UHFFFAOYSA-N
Mol Weight 416.6 g/mol
Molecular Formula C26H40O4
Exact Mass 416.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3DquDLKHHEY
Name Phthalic acid, decyl 2-ethylcyclohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 416.292659764 u
Formula C26H40O4
InChI InChI=1S/C26H40O4/c1-3-5-6-7-8-9-10-15-20-29-25(27)22-17-12-13-18-23(22)26(28)30-24-19-14-11-16-21(24)4-2/h12-13,17-18,21,24H,3-11,14-16,19-20H2,1-2H3
InChIKey ZHZOJIIVZVXTMG-UHFFFAOYSA-N
Molecular Weight 416.602 g/mol
SMILES C(OC1C(CCCC1)CC)(=O)C1=C(C=CC=C1)C(OCCCCCCCCCC)=O